Complexes after comparative docking

Receptor: model based on 4E3M chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
0ND_A_3 0.000 5.2 0.66 61.0 [({[2-CHLORO-4-(1H-TETRAZOL-5-YL)PHENYL]SULFONYL}AMINO)METHYL]BORONIC ACID 4E3M Raw